2-Methyl-2-propanyl (4-chloro-3-formyl-2-pyridinyl)carbamate

Basic Information

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CAS Number

868736-42-9

Molecular Formula

C11H13ClN2O3

Molecular Weight

256.69 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC(C)(C)OC(=O)Nc1nccc(Cl)c1C=O

InChI

InChI=1S/C11H13ClN2O3/c1-11(2,3)17-10(16)14-9-7(6-15)8(12)4-5-13-9/h4-6H,1-3H3,(H,13,14,16)

InChIKey

QWVXQYZWGQFXPU-UHFFFAOYSA-N

LogP

2.8945000000000007

Topological Polar Surface Area

68.28999999999999 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

291

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

tert-Butyl (4-chloro-3-formylpyridin-2-yl)carbamate
tert-Butyl 4-chloro-3-formylpyridin-2-ylcarbamate
tert-butyl N-(4-chloro-3-formylpyridin-2-yl)carbamate
2-(BOC-AMINO)-4-CHLORONICOTINALDEHYDE
tert-Butyl(4-chloro-3-formylpyridin-2-yl)carbamate
QWVXQYZWGQFXPU-UHFFFAOYSA-N
FCH1626557
PB30112
AX8230159
ST2407615
V8241
2-
tert-butyl N-(4-chloro-3-formyl-2-pyridyl)carbamate

MDL Number

MFCD15530295

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl (4-chloro-3-formyl-2-pyridinyl)carbamate (CAS: 868736-42-9)?

2-Methyl-2-propanyl (4-chloro-3-formyl-2-pyridinyl)carbamate (CAS: 868736-42-9) is a crystalline solid with a molecular weight of approximately 240.03 g/mol. It has a high solubility in organic solvents like dichloromethane and ethyl acetate but is insoluble in water. Chemically, it is highly reactive, particularly towards nucleophiles and reducing agents.

How is 2-Methyl-2-propanyl (4-chloro-3-formyl-2-pyridinyl)carbamate (CAS: 868736-42-9) typically synthesized?

2-Methyl-2-propanyl (4-chloro-3-formyl-2-pyridinyl)carbamate (CAS: 868736-42-9) is synthesized through a multi-step process involving alkylation of a pyridine derivative followed by condensation with an amine. The reaction is typically catalyzed by a mild base, and the product is isolated through recrystallization from a suitable organic solvent.

What industries use 2-Methyl-2-propanyl (4-chloro-3-formyl-2-pyridinyl)carbamate (CAS: 868736-42-9)?

2-Methyl-2-propanyl (4-chloro-3-formyl-2-pyridinyl)carbamate (CAS: 868736-42-9) finds applications in the pharmaceutical and chemical industries. It is used as an intermediate in the synthesis of certain drugs and as a building block for functional materials in polymers and sensors.

What precautions should be taken when handling 2-Methyl-2-propanyl (4-chloro-3-formyl-2-pyridinyl)carbamate (CAS: 868736-42-9)?

When handling 2-Methyl-2-propanyl (4-chloro-3-formyl-2-pyridinyl)carbamate (CAS: 868736-42-9), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up with appropriate absorbents and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.